Compound Detail
CHEMBL2037268
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Basic Information
| ChEMBL ID | CHEMBL2037268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTBHGCYEVHKCHT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
5.01
ALogP
4
HBA
1
HBD
88.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Coxsackievirus B2 CHEMBL613202 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 500.0 | nM | 6.3 | Antiviral activity against Yellow fever virus 17D infected in BHK21 cells assess... | 22513121 |
| Coxsackievirus B2 | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against Coxsackie virus type B2 | 22513121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Yellow fever virus | 1 |
| 22513121 | 10.1016/j.ejmech.2012.03.038 | Coxsackievirus B2 | 1 |
Data from ChEMBL 36 via Core Engine